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198470-63-2 | Carbamic acid, [(1R)-1-(hydroxymethyl)-2-[4-(phenylmethoxy)phenyl]ethyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 198470-63-2 Catalog No: AG002BJ2 MDL No:MFCD00235957
Product Description
Catalog Number:
AG002BJ2
Chemical Name:
Carbamic acid, [(1R)-1-(hydroxymethyl)-2-[4-(phenylmethoxy)phenyl]ethyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
198470-63-2
Molecular Formula:
C21H27NO4
Molecular Weight:
357.4434
MDL Number:
MFCD00235957
IUPAC Name:
tert-butyl N-[(2R)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
InChI:
InChI=1S/C21H27NO4/c1-21(2,3)26-20(24)22-18(14-23)13-16-9-11-19(12-10-16)25-15-17-7-5-4-6-8-17/h4-12,18,23H,13-15H2,1-3H3,(H,22,24)/t18-/m1/s1
InChI Key:
FOMAWYQEBPYJJU-GOSISDBHSA-N
SMILES:
OC[C@@H](Cc1ccc(cc1)OCc1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
357.194g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
357.45g/mol
Monoisotopic Mass:
357.194g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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